3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione

C19H26FN5O2 — CID 44580227

IUPAC3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione
SMILESCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C19H26FN5O2/c1-10-16-14(18(26)25(21)19(27)24(16)13-4-5-13)8-15(20)17(10)23-7-6-12(9-23)11(2)22-3/h8,11-13,22H,4-7,9,21H2,1-3H3/t11-,12+/m0/s1
InChIKeyDIXQWMSSZZHUQF-NWDGAFQWSA-N
MW375.45 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione

3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione (PubChem CID 44580227) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione
PubChem CID44580227
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione
SMILESCN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1
InChIInChI=1S/C19H26FN5O2/c1-10-16-14(18(26)25(21)19(27)24(16)13-4-5-13)8-15(20)17(10)23-7-6-12(9-23)11(2)22-3/h8,11-13,22H,4-7,9,21H2,1-3H3/t11-,12+/m0/s1
InChIKeyDIXQWMSSZZHUQF-NWDGAFQWSA-N
XLogP1.09
TPSA85.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione?
The IUPAC name of 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione (CID 44580227) is 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione.
What is the SMILES notation for 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione?
The canonical SMILES for 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione is CN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2C)C1.
What is the InChIKey of 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione?
The InChIKey is DIXQWMSSZZHUQF-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-10-16-14(18(26)25(21)19(27)24(16)13-4-5-13)8-15(20)17(10)23-7-6-12(9-23)11(2)22-3/h8,11-13,22H,4-7,9,21H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione?
3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione has a molecular weight of 375.45 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-(methylamino)ethyl]pyrrolidin-1-yl]quinazoline-2,4-dione is sourced from PubChem (CID 44580227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).